1-[2-nitro-4-(trifluoromethyl)phenyl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)piperidine-4-carboxamide

Systemtic Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)piperidine-4-carboxamide Openeye Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-N-[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]piperidine-4-carboxamide CAS Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-N-[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide Traditional Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-N-[2-pyrrolidino-2-(2-thienyl)ethyl]isonipecotamide Formula: C23H27F3N4O3S MolecularWeight: 496.54569

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

C1CCN(C1)C(CNC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C23H27F3N4O3S/c24-23(25,26)17-5-6-18(19(14-17)30(32)33)29-11-7-16(8-12-29)22(31)27-15-20(21-4-3-13-34-21)28-9-1-2-10-28/h3-6,13-14,16,20H,1-2,7-12,15H2,(H,27,31)